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Home > Pyridines > 333341-72-3
333341-72-3 | 2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-phenyl-acetamide
CAS No: 333341-72-3 Catalog No: AG01EVEJ MDL No:
Product Description
Catalog Number:
AG01EVEJ
Chemical Name:
2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-phenyl-acetamide
CAS Number:
333341-72-3
Molecular Formula:
C27H21N3O2S
Molecular Weight:
451.5395
IUPAC Name:
2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C27H21N3O2S/c1-32-22-14-12-20(13-15-22)25-16-23(19-8-4-2-5-9-19)24(17-28)27(30-25)33-18-26(31)29-21-10-6-3-7-11-21/h2-16H,18H2,1H3,(H,29,31)
InChI Key:
ZMAPANFAVVETDF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SCC(=O)Nc2ccccc2)c(c(c1)c1ccccc1)C#N
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.135g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.544g/mol
Monoisotopic Mass:
451.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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